SCHEMBL4554136

SCHEMBL4554136

CCCCCCOc1cc(CBr)c(OCCCCCC)cc1CBr.CCCCCCOc1cc(CCBr)c(OCCCCCC)cc1CCBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
LTB4R Q15722 1/20 0.37
S1PR3 Q99500 1/20 0.37
PTPN11 Q06124 1/20 0.37
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
RAD52 P43351 1/20 0.36
THRA P10827 1/20 0.36
CNR1 P21554 4/20 0.36
CNR2 P34972 3/20 0.36
TLR8 Q9NR97 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4432648 0.95 HTR2A (0.41) HTR2AMAPTTHRBNPSR1ALDH1A1
SCHEMBL5981361 0.91 MAPT (0.42) HTR2AMAPTTHRBNPSR1ALDH1A1
SCHEMBL4600904 0.91 MAPT (0.42) HTR2AMAPTTHRBNPSR1ALDH1A1
SCHEMBL3277560 0.91 MAPT (0.42) HTR2AMAPTTHRBNPSR1ALDH1A1
SCHEMBL7718276 0.91 MAPT (0.42) HTR2AMAPTTHRBNPSR1ALDH1A1
SCHEMBL7595428 0.85 HTR2A (0.49) HTR2ATHRBALDH1A1THRA
SCHEMBL3374326 0.84 CYP1A2 (0.42) MAPTTHRBNPSR1ALDH1A1GAA
SCHEMBL28837486 0.82 NPSR1 (0.43) MAPTTHRBNPSR1ALDH1A1GAA
SCHEMBL11237619 0.82 HTR2A (0.51) HTR2AMAPTTHRBNPSR1MEN1
SCHEMBL11331625 0.82 HTR2A (0.51) HTR2AMAPTTHRBNPSR1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163693-A1 Photoactive aromatic polymers and preparation methods thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2009-06-25 US disclosed